General Property |
Molceule ID (DB) | EGIN0004995 |
Inhibitor Class | - |
Molecule Name in Refrence Article | 13 |
IUPAC Name | Nâ€(3â€chloroâ€4â€methoxyphenyl)â€9Hâ€purinâ€6â€amine |
Formula | C12H10ClN5O |
Mass | 275.694 |
Exact Mass | 275.057387674 |
Composition | C (52.28%), H (3.66%), Cl (12.86%), N (25.4%), O (5.8%) |
Atom Count | 29 |
PI | 7.02 |
Smiles | [H]N(C1=NC([H])=NC2=C1N=C([H])N2[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(Cl)=C1[H] |
InChI | 1S/C12H10ClN5O/c1-19-9-3-2-7(4-8(9)13)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18
) |
InChIKey | DWMZQQLIMBCANJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004995.png) | Structure Backbone | ![](./frame/f_EGIN0004995.png) |
|
View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 22607878 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
16422691
|
Drug Bank Link | - |
ChemSpider Link | 17486811 |
ChEMBL Link | - |